Phosphonothioic acid, phenyl-, O-(4-formylphenyl) O-methyl ester
Basic information
- CAS
84813-97-8- Standard SMILES
COP(=S)(Oc1ccc(C=O)cc1)c1ccccc1- InChIKey
HWFAOCRELAHODW-UHFFFAOYSA-N- Molecular formula
- C14H13O3PS
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.03230244
Names & identifiers
- Preferred name
- Phosphonothioic acid, phenyl-, O-(4-formylphenyl) O-methyl ester
- IUPAC
- 4-[methoxy(phenyl)phosphinothioyl]oxybenzaldehyde
Names & synonyms
84813-97-8DTXSID201005108Phosphonothioic acid, phenyl-, O-(4-formylphenyl) O-methyl esterO-(4-formylphenyl) O-methyl phenylphosphonothioate
Database identifiers
- CAS
84813-97-8- PubChem CID
- 187429
- DTXSID
DTXSID201005108
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…